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U Deva Priyakumar

34PUBLICATIONS
53CO-AUTHORS
Metal cluster chemistryBiologically active moleculesTheoretical quantum chemistryTe tukatuka reo noa o te Māori (Māori natural language processing)Formal methods for software
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Publications (34)

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|Jun 19, 2026
Theoretical investigation of catalytic oxidation of benzyl alcohol by Au, Cu and Au-Cu nanoclusters.

|Feb 03, 2026
Mechanistic principles of antimicrobial peptides uncovered by charge density-based machine learning.

Hrushikesh Malshikare, U Deva Priyakumar, Prathit Chatterjee

|Sep 16, 2025
Leveraging high-spin DFT features for prediction of spin state gaps in 3d transition metal complexes.

Anuj Kumar Ray, Sandeep Nagar, Girish Varma

|Jun 16, 2025
Theoretical Investigation of the Stabilities and Reactivities of <math><semantics><mrow><msub><mi>Au</mi> <mi>m</mi></msub> <msub><mi>Cu</mi> <mi>n</mi></msub></mrow> <annotation>${\rm Au}_m{\rm Cu}_n$</annotation></semantics></math> Metallic Clusters (m+n = 13).

Pradeep Kumar Pal, U Deva Priyakumar

|Jul 04, 2024
Author Correction: PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications.

Divya B Korlepara, C S Vasavi, Rakesh Srivastava

|May 03, 2024
Deep reinforcement learning in chemistry: A review.

Bhuvanesh Sridharan, Animesh Sinha, Jai Bardhan

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Frequent Collaborators

3 joint publications

Rohit Modee

2 joint publications

Shubham Sharma

2 joint publications

Rakesh Srivastava

2 joint publications

Vadapalli Chandrasekhar

1 joint publications

Tanashree Jaganade

1 joint publications

Upakarasamy Lourderaj

1 joint publications

Durba Sengupta

1 joint publications

Sandeep Kumar

1 joint publications

Sanjay Pal

1 joint publications

Aasheesh Srivastava

Frequent Collaborators

3 joint publications

Rohit Modee

2 joint publications

Shubham Sharma

2 joint publications

Rakesh Srivastava

2 joint publications

Vadapalli Chandrasekhar

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